| Subject | File |
Size (kB) | Last updated | Changes |
|---|
| Introduction |
lecture01.pdf |
652 |
02.09.2008 15:12:58 |
|
| Basics of MD |
lecture02.pdf |
1501 |
17.09.2008 15:36:29 |
Corrected equation on page 17: h -> hbar. Clarified the code on page 15. Corrected typo on page 21: y=rv2/... . Corrected the year on page 1: 1959->1957 |
| Neighbor lists and code mdmorse |
lecture03.pdf |
361 |
16.09.2008 12:15:30 |
|
| Solving the equations of motion |
lecture04.pdf |
459 |
19.09.2008 17:28:03 |
|
| Calculating the forces |
lecture05.pdf |
1369 |
13.10.2008 12:39:36 |
Some equation did not show properly. Typos on pages 10 and 11: dVdr = -dVdr/m/2.0 (the minus sign). |
| Different ensembles |
lecture06.pdf |
909 |
30.10.2008 11:49:40 |
Corrected figure on page 31: now simulated with the factor 2 in the definition of lambda. Redraw the figure on page 32: it now includes fluctuations without T_control, i.e. tau_T=infinity. |
| Quantum mechanical potential models |
lecture07.pdf |
847 |
04.11.2008 13:06:05 |
Added page 25. |
| Potential models for metals |
lecture08.pdf |
998 |
12.11.2008 11:05:56 |
|
| Potential models for diamond and zincblende structures |
lecture09.pdf |
1882 |
11.12.2008 11:40:16 |
Added page 18. Included the cut-off to the definition of SW potential three-body function h3 on page 17. Added definitions for w(Z) and Q(Z) on page 22. |
| Potential models for molecules and hydrocarbons |
lecture10.pdf |
1276 |
03.12.2008 14:34:23 |
Corrected typo on page 5. |
| Potential models for ionic compounds |
lecture11.pdf |
2353 |
03.12.2008 15:07:11 |
|
| Energy minimization techniques |
lecture12.pdf |
981 |
10.12.2008 11:53:20 |
Corrected cropped equations on page 6. |
| Summary |
summary.pdf |
548 |
10.12.2008 11:50:14 |
|